SCHEMBL3701934

SCHEMBL3701934

CCOC(=O)c1cc(Sc2ccccc2)n(-c2cccnc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 1/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.43
PDE4B Q07343 1/20 0.40
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA9 Q16790 1/20 0.40
THRB P10828 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3692392 0.88 TP53 (0.45) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3700956 0.83 TP53 (0.53) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3691833 0.82 PDE4B (0.51) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3699130 0.82 KMT2A (0.49) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3694461 0.82 KMT2A (0.44) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL476348 0.81 CHRNA7 (0.42) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3697497 0.80 PDE4B (0.48) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL476490 0.79 ELANE (0.40) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3701560 0.79 THRB (0.46) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3707095 0.79 CA9 (0.46) KMT2AALDH1A1MEN1MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 KMT2A 4776/4885ALDH1A1 1497/4885MEN1 1910/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.